N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide

C12H14ClIN2O2 — CID 103896306

IUPACN-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide
SMILESNC(=O)CCCCNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C12H14ClIN2O2/c13-8-4-5-10(14)9(7-8)12(18)16-6-2-1-3-11(15)17/h4-5,7H,1-3,6H2,(H2,15,17)(H,16,18)
InChIKeyYQTNUBAYRUEULB-UHFFFAOYSA-N
MW380.61 g/mol
LogP2.33
Rot. Bonds6

About N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide

N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide (PubChem CID 103896306) has the molecular formula C12H14ClIN2O2 and a molecular weight of 380.61 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide
PubChem CID103896306
Molecular FormulaC12H14ClIN2O2
Molecular Weight380.61 g/mol
Exact Mass379.98
IUPAC NameN-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide
SMILESNC(=O)CCCCNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C12H14ClIN2O2/c13-8-4-5-10(14)9(7-8)12(18)16-6-2-1-3-11(15)17/h4-5,7H,1-3,6H2,(H2,15,17)(H,16,18)
InChIKeyYQTNUBAYRUEULB-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide
CID 106241299
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-iodobenzamide
CID 114171392
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
CID 107261187
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-iodobenzamide
CID 103767292
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide
CID 103747308
2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 43553064
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-butyl-4-chloro-2-iodobenzamide
CID 172647444
N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
CID 106812546

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide (CID 103896306) is N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide is NC(=O)CCCCNC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide?
The InChIKey is YQTNUBAYRUEULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN2O2/c13-8-4-5-10(14)9(7-8)12(18)16-6-2-1-3-11(15)17/h4-5,7H,1-3,6H2,(H2,15,17)(H,16,18).
What are the key properties of N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide?
N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide has a molecular weight of 380.61 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide is sourced from PubChem (CID 103896306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).